N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide

C18H30N4O — CID 119845919

IUPACN-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(C)C2CCCNC2)cn1
InChIInChI=1S/C18H30N4O/c1-4-22(5-2)17-9-8-16(13-20-17)21-18(23)11-14(3)15-7-6-10-19-12-15/h8-9,13-15,19H,4-7,10-12H2,1-3H3,(H,21,23)
InChIKeyWDPHLMZFAGBEGF-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.89
Rot. Bonds7

About N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide

N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide (PubChem CID 119845919) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
PubChem CID119845919
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(C)C2CCCNC2)cn1
InChIInChI=1S/C18H30N4O/c1-4-22(5-2)17-9-8-16(13-20-17)21-18(23)11-14(3)15-7-6-10-19-12-15/h8-9,13-15,19H,4-7,10-12H2,1-3H3,(H,21,23)
InChIKeyWDPHLMZFAGBEGF-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-[6-(diethylamino)-3-pyridinyl]-2-piperidin-3-ylacetamide
CID 62674526
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119712533
N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 61365011
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide (CID 119845919) is N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide is CCN(CC)c1ccc(NC(=O)CC(C)C2CCCNC2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The InChIKey is WDPHLMZFAGBEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-22(5-2)17-9-8-16(13-20-17)21-18(23)11-14(3)15-7-6-10-19-12-15/h8-9,13-15,19H,4-7,10-12H2,1-3H3,(H,21,23).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide has a molecular weight of 318.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119845919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).