N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide

C18H31N5O — CID 119889326

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCCN(c2cnn(C)c2)C1)C1CCNCC1
InChIInChI=1S/C18H31N5O/c1-14(15-5-7-19-8-6-15)10-18(24)21-16-4-3-9-23(12-16)17-11-20-22(2)13-17/h11,13-16,19H,3-10,12H2,1-2H3,(H,21,24)
InChIKeyBHFXKQAGIBDKCF-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.53
Rot. Bonds5

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119889326) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
PubChem CID119889326
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCCN(c2cnn(C)c2)C1)C1CCNCC1
InChIInChI=1S/C18H31N5O/c1-14(15-5-7-19-8-6-15)10-18(24)21-16-4-3-9-23(12-16)17-11-20-22(2)13-17/h11,13-16,19H,3-10,12H2,1-2H3,(H,21,24)
InChIKeyBHFXKQAGIBDKCF-UHFFFAOYSA-N
XLogP1.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119801204
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884021
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide (CID 119889326) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NC1CCCN(c2cnn(C)c2)C1)C1CCNCC1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is BHFXKQAGIBDKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14(15-5-7-19-8-6-15)10-18(24)21-16-4-3-9-23(12-16)17-11-20-22(2)13-17/h11,13-16,19H,3-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 333.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119889326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).