4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide

C19H31N5O2 — CID 18173951

IUPAC4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCC(Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C19H31N5O2/c1-23(2)18(25)8-12-21-19(26)24-13-9-17(10-14-24)22-16-5-3-15(4-6-16)7-11-20/h3-6,17,22H,7-14,20H2,1-2H3,(H,21,26)
InChIKeyQTNOZDDUZJHJAO-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.25
Rot. Bonds7

About 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide

4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 18173951) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID18173951
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CCNC(=O)N1CCC(Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C19H31N5O2/c1-23(2)18(25)8-12-21-19(26)24-13-9-17(10-14-24)22-16-5-3-15(4-6-16)7-11-20/h3-6,17,22H,7-14,20H2,1-2H3,(H,21,26)
InChIKeyQTNOZDDUZJHJAO-UHFFFAOYSA-N
XLogP1.25
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
CID 18173612
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 18173956
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
tert-butyl N-[2-[4-[[1-(cyclopentylmethylcarbamoyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
CID 18173596
4-[4-(cyanomethyl)anilino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268731
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 71868620
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
[5-[4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 18397349

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide (CID 18173951) is 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide is CN(C)C(=O)CCNC(=O)N1CCC(Nc2ccc(CCN)cc2)CC1.
What is the InChIKey of 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is QTNOZDDUZJHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-23(2)18(25)8-12-21-19(26)24-13-9-17(10-14-24)22-16-5-3-15(4-6-16)7-11-20/h3-6,17,22H,7-14,20H2,1-2H3,(H,21,26).
What are the key properties of 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide?
4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 18173951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).