2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride

C20H28Cl2N4O — CID 120595081

IUPAC2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
SMILESCC(N)(C(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-20(21,17-8-4-2-5-9-17)19(25)23-15-16-10-11-22-18(14-16)24-12-6-3-7-13-24;;/h2,4-5,8-11,14H,3,6-7,12-13,15,21H2,1H3,(H,23,25);2*1H
InChIKeyQNQFCRPFHBADDU-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.41
Rot. Bonds5

About 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride

2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride (PubChem CID 120595081) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
PubChem CID120595081
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC Name2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
SMILESCC(N)(C(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-20(21,17-8-4-2-5-9-17)19(25)23-15-16-10-11-22-18(14-16)24-12-6-3-7-13-24;;/h2,4-5,8-11,14H,3,6-7,12-13,15,21H2,1H3,(H,23,25);2*1H
InChIKeyQNQFCRPFHBADDU-UHFFFAOYSA-N
XLogP3.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111947768
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride (CID 120595081) is 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride is CC(N)(C(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
The InChIKey is QNQFCRPFHBADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2ClH/c1-20(21,17-8-4-2-5-9-17)19(25)23-15-16-10-11-22-18(14-16)24-12-6-3-7-13-24;;/h2,4-5,8-11,14H,3,6-7,12-13,15,21H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride?
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride has a molecular weight of 411.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120595081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).