3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride

C19H31Cl2N3O — CID 119854205

IUPAC3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CCN(CC2CC2)CC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-14(18(20)16-5-3-2-4-6-16)19(23)21-17-9-11-22(12-10-17)13-15-7-8-15;;/h2-6,14-15,17-18H,7-13,20H2,1H3,(H,21,23);2*1H
InChIKeyXBKSQDVFAXNBJI-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.16
Rot. Bonds6

About 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride

3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119854205) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119854205
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC Name3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CCN(CC2CC2)CC1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-14(18(20)16-5-3-2-4-6-16)19(23)21-17-9-11-22(12-10-17)13-15-7-8-15;;/h2-6,14-15,17-18H,7-13,20H2,1H3,(H,21,23);2*1H
InChIKeyXBKSQDVFAXNBJI-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
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CID 119755729
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 119854205) is 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride is CC(C(=O)NC1CCN(CC2CC2)CC1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is XBKSQDVFAXNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-14(18(20)16-5-3-2-4-6-16)19(23)21-17-9-11-22(12-10-17)13-15-7-8-15;;/h2-6,14-15,17-18H,7-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119854205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).