1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone

C24H24N4O — CID 175207125

IUPAC1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1c1ccccc1n2C1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C24H24N4O/c1-17(29)19-7-4-9-22-24(19)20-6-2-3-8-21(20)28(22)18-10-14-27(15-11-18)16-23-25-12-5-13-26-23/h2-9,12-13,18H,10-11,14-16H2,1H3
InChIKeyVTJIXKXCCZGHMY-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.62
Rot. Bonds4

About 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone

1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone (PubChem CID 175207125) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone
PubChem CID175207125
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1c1ccccc1n2C1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C24H24N4O/c1-17(29)19-7-4-9-22-24(19)20-6-2-3-8-21(20)28(22)18-10-14-27(15-11-18)16-23-25-12-5-13-26-23/h2-9,12-13,18H,10-11,14-16H2,1H3
InChIKeyVTJIXKXCCZGHMY-UHFFFAOYSA-N
XLogP4.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide
CID 162718953
1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethanone
CID 63845978
2-(azetidin-1-ylmethyl)pyrimidine
CID 141298122
2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
CID 66805437
2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrimidin-5-yl]benzoic acid
CID 110097898
2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
CID 141298121
2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 29258956
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide
CID 71239682
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42501111

Frequently Asked Questions

What is the IUPAC name of 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone?
The IUPAC name of 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone (CID 175207125) is 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone.
What is the SMILES notation for 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone?
The canonical SMILES for 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone is CC(=O)c1cccc2c1c1ccccc1n2C1CCN(Cc2ncccn2)CC1.
What is the InChIKey of 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone?
The InChIKey is VTJIXKXCCZGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17(29)19-7-4-9-22-24(19)20-6-2-3-8-21(20)28(22)18-10-14-27(15-11-18)16-23-25-12-5-13-26-23/h2-9,12-13,18H,10-11,14-16H2,1H3.
What are the key properties of 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone?
1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone has a molecular weight of 384.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]carbazol-4-yl]ethanone is sourced from PubChem (CID 175207125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).