N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide

C19H28N4O2 — CID 146209267

IUPACN-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)C1CCN(C(O)[C@H](C)N)CC1
InChIInChI=1S/C19H28N4O2/c1-12(20)19(25)23-9-7-14(8-10-23)13(2)22-18(24)16-11-21-17-6-4-3-5-15(16)17/h3-6,11-14,19,21,25H,7-10,20H2,1-2H3,(H,22,24)/t12-,13?,19?/m0/s1
InChIKeyAIYZDERIUZYJGH-GLIABKTBSA-N
MW344.46 g/mol
LogP1.66
Rot. Bonds5

About N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide

N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide (PubChem CID 146209267) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide
PubChem CID146209267
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)C1CCN(C(O)[C@H](C)N)CC1
InChIInChI=1S/C19H28N4O2/c1-12(20)19(25)23-9-7-14(8-10-23)13(2)22-18(24)16-11-21-17-6-4-3-5-15(16)17/h3-6,11-14,19,21,25H,7-10,20H2,1-2H3,(H,22,24)/t12-,13?,19?/m0/s1
InChIKeyAIYZDERIUZYJGH-GLIABKTBSA-N
XLogP1.66
TPSA94.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11044731
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide (CID 146209267) is N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2ccccc12)C1CCN(C(O)[C@H](C)N)CC1.
What is the InChIKey of N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide?
The InChIKey is AIYZDERIUZYJGH-GLIABKTBSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(20)19(25)23-9-7-14(8-10-23)13(2)22-18(24)16-11-21-17-6-4-3-5-15(16)17/h3-6,11-14,19,21,25H,7-10,20H2,1-2H3,(H,22,24)/t12-,13?,19?/m0/s1.
What are the key properties of N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide?
N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 146209267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).