N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide

C15H25N5O2 — CID 119728762

IUPACN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
SMILESCNC(=O)Cn1cc(NC(=O)CC(C)C2CCNCC2)cn1
InChIInChI=1S/C15H25N5O2/c1-11(12-3-5-17-6-4-12)7-14(21)19-13-8-18-20(9-13)10-15(22)16-2/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,16,22)(H,19,21)
InChIKeySEDUNELTNRFEOI-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.59
Rot. Bonds6

About N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119728762) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
PubChem CID119728762
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
SMILESCNC(=O)Cn1cc(NC(=O)CC(C)C2CCNCC2)cn1
InChIInChI=1S/C15H25N5O2/c1-11(12-3-5-17-6-4-12)7-14(21)19-13-8-18-20(9-13)10-15(22)16-2/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,16,22)(H,19,21)
InChIKeySEDUNELTNRFEOI-UHFFFAOYSA-N
XLogP0.59
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylpropanamide
CID 62211260
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 64609936
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide (CID 119728762) is N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide is CNC(=O)Cn1cc(NC(=O)CC(C)C2CCNCC2)cn1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is SEDUNELTNRFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(12-3-5-17-6-4-12)7-14(21)19-13-8-18-20(9-13)10-15(22)16-2/h8-9,11-12,17H,3-7,10H2,1-2H3,(H,16,22)(H,19,21).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide?
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 307.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119728762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).