[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

C29H30N4O2 — CID 46692235

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C29H30N4O2/c34-28(33-16-6-9-22(19-33)27-30-25-12-3-4-13-26(25)31-27)21-14-17-32(18-15-21)29(35)24-11-5-8-20-7-1-2-10-23(20)24/h1-5,7-8,10-13,21-22H,6,9,14-19H2,(H,30,31)
InChIKeyVRNZLYWQYVXAPY-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.97
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 46692235) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
PubChem CID46692235
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C29H30N4O2/c34-28(33-16-6-9-22(19-33)27-30-25-12-3-4-13-26(25)31-27)21-14-17-32(18-15-21)29(35)24-11-5-8-20-7-1-2-10-23(20)24/h1-5,7-8,10-13,21-22H,6,9,14-19H2,(H,30,31)
InChIKeyVRNZLYWQYVXAPY-UHFFFAOYSA-N
XLogP4.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 24599736
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834
3-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 51649138
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 51590631
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (CID 46692235) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is VRNZLYWQYVXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-28(33-16-6-9-22(19-33)27-30-25-12-3-4-13-26(25)31-27)21-14-17-32(18-15-21)29(35)24-11-5-8-20-7-1-2-10-23(20)24/h1-5,7-8,10-13,21-22H,6,9,14-19H2,(H,30,31).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 46692235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).