N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride

C15H30ClN3O2 — CID 119517349

IUPACN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(16)12-6-9-18(10-7-12)13(19)5-8-17-14(20)15(2,3)4;/h11-12H,5-10,16H2,1-4H3,(H,17,20);1H
InChIKeyDJDKUYDVPKVVQR-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.55
Rot. Bonds4

About N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119517349) has the molecular formula C15H30ClN3O2 and a molecular weight of 319.88 g/mol. Its IUPAC name is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119517349
Molecular FormulaC15H30ClN3O2
Molecular Weight319.88 g/mol
Exact Mass319.20
IUPAC NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1.Cl
InChIInChI=1S/C15H29N3O2.ClH/c1-11(16)12-6-9-18(10-7-12)13(19)5-8-17-14(20)15(2,3)4;/h11-12H,5-10,16H2,1-4H3,(H,17,20);1H
InChIKeyDJDKUYDVPKVVQR-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119593332
1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170437
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
5-[4-(1-aminoethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119520390
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
CID 119520066
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride (CID 119517349) is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride is CC(N)C1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1.Cl.
What is the InChIKey of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is DJDKUYDVPKVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.ClH/c1-11(16)12-6-9-18(10-7-12)13(19)5-8-17-14(20)15(2,3)4;/h11-12H,5-10,16H2,1-4H3,(H,17,20);1H.
What are the key properties of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride?
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).