N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

C18H27N3O3 — CID 75375605

IUPACN-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CC2(O)CCCCC2)CC1)c1ccc[nH]1
InChIInChI=1S/C18H27N3O3/c22-16(13-18(24)8-2-1-3-9-18)21-11-6-14(7-12-21)20-17(23)15-5-4-10-19-15/h4-5,10,14,19,24H,1-3,6-9,11-13H2,(H,20,23)
InChIKeyBSEPZRGOYOFTFQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.82
Rot. Bonds4

About N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 75375605) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID75375605
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CC2(O)CCCCC2)CC1)c1ccc[nH]1
InChIInChI=1S/C18H27N3O3/c22-16(13-18(24)8-2-1-3-9-18)21-11-6-14(7-12-21)20-17(23)15-5-4-10-19-15/h4-5,10,14,19,24H,1-3,6-9,11-13H2,(H,20,23)
InChIKeyBSEPZRGOYOFTFQ-UHFFFAOYSA-N
XLogP1.82
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
2-cyclopentyl-N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]acetamide
CID 111538308
2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 132972613
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
CID 66187212
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
N-[(3R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 166376432
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
CID 64670962
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 95845969
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
CID 146134068

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 75375605) is N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(C(=O)CC2(O)CCCCC2)CC1)c1ccc[nH]1.
What is the InChIKey of N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is BSEPZRGOYOFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-16(13-18(24)8-2-1-3-9-18)21-11-6-14(7-12-21)20-17(23)15-5-4-10-19-15/h4-5,10,14,19,24H,1-3,6-9,11-13H2,(H,20,23).
What are the key properties of N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75375605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).