trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

C19H28ClN3O — CID 124699225

IUPACtrans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C19H28ClN3O/c20-18-4-2-1-3-16(18)13-23-9-7-14(8-10-23)12-22-19(24)15-5-6-17(21)11-15/h1-4,14-15,17H,5-13,21H2,(H,22,24)/t15-,17-/m0/s1
InChIKeyXOQGRUCXVATGNY-RDJZCZTQSA-N
MW349.91 g/mol
LogP2.80
Rot. Bonds5

About trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 124699225) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID124699225
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Nametrans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C19H28ClN3O/c20-18-4-2-1-3-16(18)13-23-9-7-14(8-10-23)12-22-19(24)15-5-6-17(21)11-15/h1-4,14-15,17H,5-13,21H2,(H,22,24)/t15-,17-/m0/s1
InChIKeyXOQGRUCXVATGNY-RDJZCZTQSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
3-amino-N-[(1-ethylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008591
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 124699225) is trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is N[C@H]1CC[C@H](C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is XOQGRUCXVATGNY-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H28ClN3O/c20-18-4-2-1-3-16(18)13-23-9-7-14(8-10-23)12-22-19(24)15-5-6-17(21)11-15/h1-4,14-15,17H,5-13,21H2,(H,22,24)/t15-,17-/m0/s1.
What are the key properties of trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 349.91 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124699225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).