N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide

C26H33N3O3 — CID 154838011

IUPACN'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H33N3O3/c1-18(20-10-9-19-7-4-8-21(19)15-20)28-26(32)25(31)27-16-22-5-2-3-6-23(22)17-29-13-11-24(30)12-14-29/h2-3,5-6,9-10,15,18,24,30H,4,7-8,11-14,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyATLCTUDDXKFKFS-GOSISDBHSA-N
MW435.57 g/mol
LogP2.63
Rot. Bonds6

About N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide

N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide (PubChem CID 154838011) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide
PubChem CID154838011
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H33N3O3/c1-18(20-10-9-19-7-4-8-21(19)15-20)28-26(32)25(31)27-16-22-5-2-3-6-23(22)17-29-13-11-24(30)12-14-29/h2-3,5-6,9-10,15,18,24,30H,4,7-8,11-14,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyATLCTUDDXKFKFS-GOSISDBHSA-N
XLogP2.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 154839990
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-butan-2-yl-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylurea
CID 111796216
N-[[3-(aminomethyl)phenyl]methyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511179
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638
N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834680
1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 131961953
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
CID 111697213
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide?
The IUPAC name of N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide (CID 154838011) is N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide.
What is the SMILES notation for N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide?
The canonical SMILES for N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide is C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide?
The InChIKey is ATLCTUDDXKFKFS-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(20-10-9-19-7-4-8-21(19)15-20)28-26(32)25(31)27-16-22-5-2-3-6-23(22)17-29-13-11-24(30)12-14-29/h2-3,5-6,9-10,15,18,24,30H,4,7-8,11-14,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1.
What are the key properties of N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide?
N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide has a molecular weight of 435.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide is sourced from PubChem (CID 154838011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).