4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide

C20H30N4O4 — CID 139425116

IUPAC4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCOCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CC(CO)CCN2)NO1
InChIInChI=1S/C20H30N4O4/c1-27-11-18-23-19(24-28-18)14-2-4-15-13(9-14)3-5-16(15)22-20(26)17-8-12(10-25)6-7-21-17/h2,4,9,12,16-19,21,23-25H,3,5-8,10-11H2,1H3,(H,22,26)/t12?,16-,17?,18?,19?/m1/s1
InChIKeyMAISDBYITCMQSN-FOIGUVQZSA-N
MW390.48 g/mol
LogP0.25
Rot. Bonds6

About 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide

4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide (PubChem CID 139425116) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
PubChem CID139425116
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
SMILESCOCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CC(CO)CCN2)NO1
InChIInChI=1S/C20H30N4O4/c1-27-11-18-23-19(24-28-18)14-2-4-15-13(9-14)3-5-16(15)22-20(26)17-8-12(10-25)6-7-21-17/h2,4,9,12,16-19,21,23-25H,3,5-8,10-11H2,1H3,(H,22,26)/t12?,16-,17?,18?,19?/m1/s1
InChIKeyMAISDBYITCMQSN-FOIGUVQZSA-N
XLogP0.25
TPSA103.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 139425087
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-4-carboxamide
CID 139425024
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-thiadiazolidine-2-carboxamide
CID 155296563
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
CID 155296586
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
CID 139425090
2-fluoro-3-(hydroxymethyl)-N-[(1R)-5-[1-(methoxymethyl)-2-oxa-3-aza-5-azoniaspiro[4.7]dodecan-4-yl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 159519475
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
CID 136578972
(2S,4R)-4-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
CID 56706776
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-2-carboxamide
CID 119310209
(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide
CID 97071656

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide (CID 139425116) is 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide is COCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CC(CO)CCN2)NO1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
The InChIKey is MAISDBYITCMQSN-FOIGUVQZSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-27-11-18-23-19(24-28-18)14-2-4-15-13(9-14)3-5-16(15)22-20(26)17-8-12(10-25)6-7-21-17/h2,4,9,12,16-19,21,23-25H,3,5-8,10-11H2,1H3,(H,22,26)/t12?,16-,17?,18?,19?/m1/s1.
What are the key properties of 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide?
4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 0.25, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide is sourced from PubChem (CID 139425116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).