N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

C19H29N2O2+ — CID 6952865

IUPACN-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-4-5-15(13-18)14-21-11-9-16(10-12-21)19(22)20-17-6-2-3-7-17/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3,(H,20,22)/p+1
InChIKeyZVYUZJJIKFSBTK-UHFFFAOYSA-O
MW317.45 g/mol
LogP1.55
Rot. Bonds5

About N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 6952865) has the molecular formula C19H29N2O2+ and a molecular weight of 317.45 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID6952865
Molecular FormulaC19H29N2O2+
Molecular Weight317.45 g/mol
Exact Mass317.22
IUPAC NameN-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-4-5-15(13-18)14-21-11-9-16(10-12-21)19(22)20-17-6-2-3-7-17/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3,(H,20,22)/p+1
InChIKeyZVYUZJJIKFSBTK-UHFFFAOYSA-O
XLogP1.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
[3-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7323909
N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7323463
1-[(3-phenoxyphenyl)methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7233673
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6963584
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8594586
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide (CID 6952865) is N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide is COc1cccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is ZVYUZJJIKFSBTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-8-4-5-15(13-18)14-21-11-9-16(10-12-21)19(22)20-17-6-2-3-7-17/h4-5,8,13,16-17H,2-3,6-7,9-12,14H2,1H3,(H,20,22)/p+1.
What are the key properties of N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide?
N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 317.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6952865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).