N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide

C20H31ClN4O2 — CID 131910409

IUPACN-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C20H31ClN4O2/c1-5-19(26)22-18-14-15(21)6-7-17(18)20(27)25-10-8-16(9-11-25)24(4)13-12-23(2)3/h6-7,14,16H,5,8-13H2,1-4H3,(H,22,26)
InChIKeySNCXWGPFUYTURV-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.79
Rot. Bonds7

About N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide

N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 131910409) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
PubChem CID131910409
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N(C)CCN(C)C)CC1
InChIInChI=1S/C20H31ClN4O2/c1-5-19(26)22-18-14-15(21)6-7-17(18)20(27)25-10-8-16(9-11-25)24(4)13-12-23(2)3/h6-7,14,16H,5,8-13H2,1-4H3,(H,22,26)
InChIKeySNCXWGPFUYTURV-UHFFFAOYSA-N
XLogP2.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
CID 163315548
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 133135233
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide (CID 131910409) is N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N(C)CCN(C)C)CC1.
What is the InChIKey of N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is SNCXWGPFUYTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O2/c1-5-19(26)22-18-14-15(21)6-7-17(18)20(27)25-10-8-16(9-11-25)24(4)13-12-23(2)3/h6-7,14,16H,5,8-13H2,1-4H3,(H,22,26).
What are the key properties of N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide?
N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 394.95 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 131910409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).