N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide

C23H30N4O2 — CID 97285169

IUPACN-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-4-8-19(9-5-17)23(29)25-11-10-21(28)26-13-2-3-20(16-26)22-24-12-14-27(22)15-18-6-7-18/h4-5,8-9,12,14,18,20H,2-3,6-7,10-11,13,15-16H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyNQCLTXDINAWEIA-HXUWFJFHSA-N
MW394.52 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide

N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide (PubChem CID 97285169) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide
PubChem CID97285169
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-4-8-19(9-5-17)23(29)25-11-10-21(28)26-13-2-3-20(16-26)22-24-12-14-27(22)15-18-6-7-18/h4-5,8-9,12,14,18,20H,2-3,6-7,10-11,13,15-16H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyNQCLTXDINAWEIA-HXUWFJFHSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide with MolForge

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Related Compounds

1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 72916265
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 72931230

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide (CID 97285169) is N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1.
What is the InChIKey of N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide?
The InChIKey is NQCLTXDINAWEIA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-4-8-19(9-5-17)23(29)25-11-10-21(28)26-13-2-3-20(16-26)22-24-12-14-27(22)15-18-6-7-18/h4-5,8-9,12,14,18,20H,2-3,6-7,10-11,13,15-16H2,1H3,(H,25,29)/t20-/m1/s1.
What are the key properties of N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide?
N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide is sourced from PubChem (CID 97285169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).