N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

C24H32N2O2 — CID 1076504

IUPACN-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)25-23(27)21-12-14-26(15-13-21)17-20-10-7-11-22(16-20)28-18-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,25,27)
InChIKeyAPLBXJBOVAPHKG-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.39
Rot. Bonds6

About N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1076504) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1076504
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)25-23(27)21-12-14-26(15-13-21)17-20-10-7-11-22(16-20)28-18-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,25,27)
InChIKeyAPLBXJBOVAPHKG-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6963584
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
N-[2-(diethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3995388
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
CID 163328691
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (CID 1076504) is N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is APLBXJBOVAPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)25-23(27)21-12-14-26(15-13-21)17-20-10-7-11-22(16-20)28-18-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,25,27).
What are the key properties of N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1076504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).