(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide

C17H28N4O — CID 94813465

IUPAC(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCC1)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C17H28N4O/c1-13(17(22)19-15-5-3-4-6-15)21-11-8-14(9-12-21)16-7-10-18-20(16)2/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyJNBIKTARSZSGMB-CYBMUJFWSA-N
MW304.44 g/mol
LogP2.05
Rot. Bonds4

About (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide

(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 94813465) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
PubChem CID94813465
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCC1)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C17H28N4O/c1-13(17(22)19-15-5-3-4-6-15)21-11-8-14(9-12-21)16-7-10-18-20(16)2/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyJNBIKTARSZSGMB-CYBMUJFWSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide (CID 94813465) is (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide is C[C@H](C(=O)NC1CCCC1)N1CCC(c2ccnn2C)CC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is JNBIKTARSZSGMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(17(22)19-15-5-3-4-6-15)21-11-8-14(9-12-21)16-7-10-18-20(16)2/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide?
(2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 304.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 94813465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).