N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

C18H27N3O2 — CID 138016639

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1
InChIInChI=1S/C18H27N3O2/c1-2-18(12-22)7-9-21(10-8-18)17(23)20-15-11-13-5-3-4-6-14(13)16(15)19/h3-6,15-16,22H,2,7-12,19H2,1H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyNQXQDIYPXDOXFM-HZPDHXFCSA-N
MW317.43 g/mol
LogP1.81
Rot. Bonds3

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

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 138016639) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID138016639
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1
InChIInChI=1S/C18H27N3O2/c1-2-18(12-22)7-9-21(10-8-18)17(23)20-15-11-13-5-3-4-6-14(13)16(15)19/h3-6,15-16,22H,2,7-12,19H2,1H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyNQXQDIYPXDOXFM-HZPDHXFCSA-N
XLogP1.81
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 138016639) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is NQXQDIYPXDOXFM-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-18(12-22)7-9-21(10-8-18)17(23)20-15-11-13-5-3-4-6-14(13)16(15)19/h3-6,15-16,22H,2,7-12,19H2,1H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138016639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).