N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide

C20H32N4O2 — CID 119868261

IUPACN-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C1CCCNC1
InChIInChI=1S/C20H32N4O2/c1-15(16-5-4-11-21-14-16)13-20(26)23-18-8-6-17(7-9-18)22-19(25)10-12-24(2)3/h6-9,15-16,21H,4-5,10-14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWYEUGYTXAHFOIC-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.54
Rot. Bonds8

About N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide

N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119868261) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119868261
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C1CCCNC1
InChIInChI=1S/C20H32N4O2/c1-15(16-5-4-11-21-14-16)13-20(26)23-18-8-6-17(7-9-18)22-19(25)10-12-24(2)3/h6-9,15-16,21H,4-5,10-14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWYEUGYTXAHFOIC-UHFFFAOYSA-N
XLogP2.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119891270
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739180
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide (CID 119868261) is N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C1CCCNC1.
What is the InChIKey of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is WYEUGYTXAHFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(16-5-4-11-21-14-16)13-20(26)23-18-8-6-17(7-9-18)22-19(25)10-12-24(2)3/h6-9,15-16,21H,4-5,10-14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide?
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 360.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119868261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).