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

C16H23N3O2 — CID 138016659

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H23N3O2/c17-15-13-4-2-1-3-12(13)9-14(15)18-16(21)19-7-5-11(10-20)6-8-19/h1-4,11,14-15,20H,5-10,17H2,(H,18,21)/t14-,15-/m1/s1
InChIKeyAEGNLTADAUMIPL-HUUCEWRRSA-N
MW289.38 g/mol
LogP1.02
Rot. Bonds2

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

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 138016659) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID138016659
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H23N3O2/c17-15-13-4-2-1-3-12(13)9-14(15)18-16(21)19-7-5-11(10-20)6-8-19/h1-4,11,14-15,20H,5-10,17H2,(H,18,21)/t14-,15-/m1/s1
InChIKeyAEGNLTADAUMIPL-HUUCEWRRSA-N
XLogP1.02
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.02
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-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 138016659) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide is N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is AEGNLTADAUMIPL-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-13-4-2-1-3-12(13)9-14(15)18-16(21)19-7-5-11(10-20)6-8-19/h1-4,11,14-15,20H,5-10,17H2,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.02, 2 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-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138016659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).