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

C19H28FN3O — CID 56709790

IUPAC1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCN(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)
InChIKeyVQBTVNWZYSVOCC-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.43
Rot. Bonds5

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

1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 56709790) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID56709790
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2CCCN(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)
InChIKeyVQBTVNWZYSVOCC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 56709790) is 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCC2CCCN(Cc3ccccc3F)C2)CCCC1.
What is the InChIKey of 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VQBTVNWZYSVOCC-UHFFFAOYSA-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).
What are the key properties of 1-amino-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[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-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56709790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).