N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide

C22H31N3O2 — CID 77097142

IUPACN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
SMILESO=C(NCC1CCN(C(=O)C2CC2)CC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C22H31N3O2/c26-21(19-4-1-3-18(13-19)20-5-2-10-23-15-20)24-14-16-8-11-25(12-9-16)22(27)17-6-7-17/h1,3-4,13,16-17,20,23H,2,5-12,14-15H2,(H,24,26)
InChIKeyMVAUENCQBBRNDJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.53
Rot. Bonds5

About N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide

N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide (PubChem CID 77097142) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
PubChem CID77097142
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
SMILESO=C(NCC1CCN(C(=O)C2CC2)CC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C22H31N3O2/c26-21(19-4-1-3-18(13-19)20-5-2-10-23-15-20)24-14-16-8-11-25(12-9-16)22(27)17-6-7-17/h1,3-4,13,16-17,20,23H,2,5-12,14-15H2,(H,24,26)
InChIKeyMVAUENCQBBRNDJ-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654432
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide?
The IUPAC name of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide (CID 77097142) is N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide is O=C(NCC1CCN(C(=O)C2CC2)CC1)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide?
The InChIKey is MVAUENCQBBRNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(19-4-1-3-18(13-19)20-5-2-10-23-15-20)24-14-16-8-11-25(12-9-16)22(27)17-6-7-17/h1,3-4,13,16-17,20,23H,2,5-12,14-15H2,(H,24,26).
What are the key properties of N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide?
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide has a molecular weight of 369.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 77097142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).