N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide

C16H29N5O — CID 119870177

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22)
InChIKeyUQSUDOAAAPUZRQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.41
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119870177) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
PubChem CID119870177
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22)
InChIKeyUQSUDOAAAPUZRQ-UHFFFAOYSA-N
XLogP1.41
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119869173
N-(1-ethylpyrazol-3-yl)-2-piperidin-4-ylacetamide
CID 66510151
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167806834
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide (CID 119870177) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is UQSUDOAAAPUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 307.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119870177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).