1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

C19H29N3O2 — CID 119895679

IUPAC1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC1
InChIInChI=1S/C19H29N3O2/c20-19(9-3-4-10-19)18(24)21-13-15-5-1-2-6-16(15)14-22-11-7-17(23)8-12-22/h1-2,5-6,17,23H,3-4,7-14,20H2,(H,21,24)
InChIKeyCMSWGDDCDPIJRF-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.53
Rot. Bonds5

About 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119895679) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119895679
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC1
InChIInChI=1S/C19H29N3O2/c20-19(9-3-4-10-19)18(24)21-13-15-5-1-2-6-16(15)14-22-11-7-17(23)8-12-22/h1-2,5-6,17,23H,3-4,7-14,20H2,(H,21,24)
InChIKeyCMSWGDDCDPIJRF-UHFFFAOYSA-N
XLogP1.53
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124704452
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 111781740
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 154839990

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 119895679) is 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC1.
What is the InChIKey of 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is CMSWGDDCDPIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-19(9-3-4-10-19)18(24)21-13-15-5-1-2-6-16(15)14-22-11-7-17(23)8-12-22/h1-2,5-6,17,23H,3-4,7-14,20H2,(H,21,24).
What are the key properties of 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119895679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).