1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C23H28N4O — CID 97280561

IUPAC1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C23H28N4O/c28-22(10-9-18-14-25-21-6-2-1-5-20(18)21)26-12-3-4-19(16-26)23-24-11-13-27(23)15-17-7-8-17/h1-2,5-6,11,13-14,17,19,25H,3-4,7-10,12,15-16H2/t19-/m1/s1
InChIKeyRZFQTCYGLAHDFW-LJQANCHMSA-N
MW376.50 g/mol
LogP4.11
Rot. Bonds6

About 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 97280561) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID97280561
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C23H28N4O/c28-22(10-9-18-14-25-21-6-2-1-5-20(18)21)26-12-3-4-19(16-26)23-24-11-13-27(23)15-17-7-8-17/h1-2,5-6,11,13-14,17,19,25H,3-4,7-10,12,15-16H2/t19-/m1/s1
InChIKeyRZFQTCYGLAHDFW-LJQANCHMSA-N
XLogP4.11
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 97280561) is 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccn2CC2CC2)C1.
What is the InChIKey of 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is RZFQTCYGLAHDFW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O/c28-22(10-9-18-14-25-21-6-2-1-5-20(18)21)26-12-3-4-19(16-26)23-24-11-13-27(23)15-17-7-8-17/h1-2,5-6,11,13-14,17,19,25H,3-4,7-10,12,15-16H2/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 97280561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).