N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide

C13H21N5O2 — CID 86773408

IUPACN-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c1-9(12(19)17-13(20)14-2)18-5-3-10(4-6-18)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H2,14,17,19,20)
InChIKeyCHHOFPYWALNMGZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds3

About N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide

N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide (PubChem CID 86773408) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide
PubChem CID86773408
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c1-9(12(19)17-13(20)14-2)18-5-3-10(4-6-18)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H2,14,17,19,20)
InChIKeyCHHOFPYWALNMGZ-UHFFFAOYSA-N
XLogP0.43
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94812566
N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924
(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 96928240
3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216173
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide (CID 86773408) is N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide is CNC(=O)NC(=O)C(C)N1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide?
The InChIKey is CHHOFPYWALNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(12(19)17-13(20)14-2)18-5-3-10(4-6-18)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H2,14,17,19,20).
What are the key properties of N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide?
N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86773408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).