1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide

C19H28FN3O — CID 95214307

IUPAC1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3F)C2)CCCC1
InChIInChI=1S/C19H28FN3O/c20-17-8-2-1-7-16(17)14-23-11-5-6-15(13-23)12-22-18(24)19(21)9-3-4-10-19/h1-2,7-8,15H,3-6,9-14,21H2,(H,22,24)/t15-/m1/s1
InChIKeyVQBTVNWZYSVOCC-OAHLLOKOSA-N
MW333.45 g/mol
LogP2.43
Rot. Bonds5

About 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 95214307) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID95214307
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3F)C2)CCCC1
InChIInChI=1S/C19H28FN3O/c20-17-8-2-1-7-16(17)14-23-11-5-6-15(13-23)12-22-18(24)19(21)9-3-4-10-19/h1-2,7-8,15H,3-6,9-14,21H2,(H,22,24)/t15-/m1/s1
InChIKeyVQBTVNWZYSVOCC-OAHLLOKOSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154886846
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95712924
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42213685

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 95214307) is 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3F)C2)CCCC1.
What is the InChIKey of 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VQBTVNWZYSVOCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-17-8-2-1-7-16(17)14-23-11-5-6-15(13-23)12-22-18(24)19(21)9-3-4-10-19/h1-2,7-8,15H,3-6,9-14,21H2,(H,22,24)/t15-/m1/s1.
What are the key properties of 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 95214307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).