4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide

C19H26N4O — CID 97198380

IUPAC4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
SMILESCC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C19H26N4O/c1-14(2)23-11-9-21-19(23)17-4-3-10-22(13-17)12-15-5-7-16(8-6-15)18(20)24/h5-9,11,14,17H,3-4,10,12-13H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyMEYXIZDUQFYKDY-KRWDZBQOSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds5

About 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide

4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide (PubChem CID 97198380) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
PubChem CID97198380
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
SMILESCC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C19H26N4O/c1-14(2)23-11-9-21-19(23)17-4-3-10-22(13-17)12-15-5-7-16(8-6-15)18(20)24/h5-9,11,14,17H,3-4,10,12-13H2,1-2H3,(H2,20,24)/t17-/m0/s1
InChIKeyMEYXIZDUQFYKDY-KRWDZBQOSA-N
XLogP2.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 72873646
2-[3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131911944
4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97273820
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide (CID 97198380) is 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide is CC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The InChIKey is MEYXIZDUQFYKDY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)23-11-9-21-19(23)17-4-3-10-22(13-17)12-15-5-7-16(8-6-15)18(20)24/h5-9,11,14,17H,3-4,10,12-13H2,1-2H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide?
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 97198380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).