3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide

C18H28N4O — CID 121109042

IUPAC3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H28N4O/c23-18(6-5-15-3-1-2-4-15)21-13-16-7-11-22(12-8-16)17-14-19-9-10-20-17/h9-10,14-16H,1-8,11-13H2,(H,21,23)
InChIKeyYIZXHZTWWSJQQP-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.78
Rot. Bonds6

About 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide

3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 121109042) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
PubChem CID121109042
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H28N4O/c23-18(6-5-15-3-1-2-4-15)21-13-16-7-11-22(12-8-16)17-14-19-9-10-20-17/h9-10,14-16H,1-8,11-13H2,(H,21,23)
InChIKeyYIZXHZTWWSJQQP-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
CID 58032790
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107876

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide (CID 121109042) is 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide is O=C(CCC1CCCC1)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is YIZXHZTWWSJQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(6-5-15-3-1-2-4-15)21-13-16-7-11-22(12-8-16)17-14-19-9-10-20-17/h9-10,14-16H,1-8,11-13H2,(H,21,23).
What are the key properties of 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide?
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 316.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 121109042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).