N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

C17H29N5O — CID 45178828

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCN1CCC(N2CCCC(NC(=O)CCc3cn[nH]c3)C2)CC1
InChIInChI=1S/C17H29N5O/c1-21-9-6-16(7-10-21)22-8-2-3-15(13-22)20-17(23)5-4-14-11-18-19-12-14/h11-12,15-16H,2-10,13H2,1H3,(H,18,19)(H,20,23)
InChIKeyRFMOMFGQCVYUNV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.02
Rot. Bonds5

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 45178828) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID45178828
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCN1CCC(N2CCCC(NC(=O)CCc3cn[nH]c3)C2)CC1
InChIInChI=1S/C17H29N5O/c1-21-9-6-16(7-10-21)22-8-2-3-15(13-22)20-17(23)5-4-14-11-18-19-12-14/h11-12,15-16H,2-10,13H2,1H3,(H,18,19)(H,20,23)
InChIKeyRFMOMFGQCVYUNV-UHFFFAOYSA-N
XLogP1.02
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 29000981
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide (CID 45178828) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide is CN1CCC(N2CCCC(NC(=O)CCc3cn[nH]c3)C2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is RFMOMFGQCVYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-21-9-6-16(7-10-21)22-8-2-3-15(13-22)20-17(23)5-4-14-11-18-19-12-14/h11-12,15-16H,2-10,13H2,1H3,(H,18,19)(H,20,23).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 45178828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).