N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide

C16H29N3O3 — CID 131910920

IUPACN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC(O)CN2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)19-9-5-13(6-10-19)16(22)17-11-14(20)12-18-7-3-4-8-18/h13-14,20H,2-12H2,1H3,(H,17,22)
InChIKeyGJZSYIMCSZQZRW-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.21
Rot. Bonds6

About N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide

N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide (PubChem CID 131910920) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide
PubChem CID131910920
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC(O)CN2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-2-15(21)19-9-5-13(6-10-19)16(22)17-11-14(20)12-18-7-3-4-8-18/h13-14,20H,2-12H2,1H3,(H,17,22)
InChIKeyGJZSYIMCSZQZRW-UHFFFAOYSA-N
XLogP0.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-2-hydroxypropyl)-1-propanoylpiperidine-4-carboxamide
CID 131928540
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
1-acetyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]piperidine-4-carboxamide
CID 90624817
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
2-[[2-[carboxymethyl-[2-[4-(2,3-dihydroxypropylcarbamoyl)piperidin-1-yl]-2-oxoethyl]amino]cyclohexyl]-[2-[4-(2,3-dihydroxypropylcarbamoyl)piperidin-1-yl]-2-oxoethyl]amino]acetic acid
CID 122522433
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide (CID 131910920) is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)NCC(O)CN2CCCC2)CC1.
What is the InChIKey of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide?
The InChIKey is GJZSYIMCSZQZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-2-15(21)19-9-5-13(6-10-19)16(22)17-11-14(20)12-18-7-3-4-8-18/h13-14,20H,2-12H2,1H3,(H,17,22).
What are the key properties of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide?
N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 131910920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).