N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C19H32Cl2N4O2 — CID 119885324

IUPACN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-14(15-8-10-20-11-9-15)12-18(24)21-16-4-6-17(7-5-16)22-19(25)13-23(2)3;;/h4-7,14-15,20H,8-13H2,1-3H3,(H,21,24)(H,22,25);2*1H
InChIKeyCJNFVKRIJJNDBM-UHFFFAOYSA-N
MW419.40 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119885324) has the molecular formula C19H32Cl2N4O2 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119885324
Molecular FormulaC19H32Cl2N4O2
Molecular Weight419.40 g/mol
Exact Mass418.19
IUPAC NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N4O2.2ClH/c1-14(15-8-10-20-11-9-15)12-18(24)21-16-4-6-17(7-5-16)22-19(25)13-23(2)3;;/h4-7,14-15,20H,8-13H2,1-3H3,(H,21,24)(H,22,25);2*1H
InChIKeyCJNFVKRIJJNDBM-UHFFFAOYSA-N
XLogP2.99
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119885324) is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccc(NC(=O)CN(C)C)cc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is CJNFVKRIJJNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.2ClH/c1-14(15-8-10-20-11-9-15)12-18(24)21-16-4-6-17(7-5-16)22-19(25)13-23(2)3;;/h4-7,14-15,20H,8-13H2,1-3H3,(H,21,24)(H,22,25);2*1H.
What are the key properties of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 419.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119885324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).