N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide

C23H26F2N2O — CID 44528932

IUPACN-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H26F2N2O/c24-20-12-19(13-21(25)14-20)22(17-4-2-1-3-5-17)27-10-8-18(9-11-27)23(28)26-15-16-6-7-16/h1-5,12-14,16,18,22H,6-11,15H2,(H,26,28)
InChIKeySMFUERLHGJOQFM-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.29
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 44528932) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID44528932
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC NameN-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H26F2N2O/c24-20-12-19(13-21(25)14-20)22(17-4-2-1-3-5-17)27-10-8-18(9-11-27)23(28)26-15-16-6-7-16/h1-5,12-14,16,18,22H,6-11,15H2,(H,26,28)
InChIKeySMFUERLHGJOQFM-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ksp-IA
CID 24901494
N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
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CID 164851900
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N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-Piperidineacetamide, N-(diphenylmethyl)-
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CID 285516
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-fluorobenzamide hydrochloride
CID 14783877
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide (CID 44528932) is N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide is O=C(NCC1CC1)C1CCN(C(c2ccccc2)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is SMFUERLHGJOQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c24-20-12-19(13-21(25)14-20)22(17-4-2-1-3-5-17)27-10-8-18(9-11-27)23(28)26-15-16-6-7-16/h1-5,12-14,16,18,22H,6-11,15H2,(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3,5-difluorophenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 44528932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).