N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C26H38N6O — CID 53188773

IUPACN-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
InChIInChI=1S/C26H38N6O/c1-2-27-24-18-25(29-20-28-24)32-16-10-21(11-17-32)8-9-26(33)30-23-12-14-31(15-13-23)19-22-6-4-3-5-7-22/h3-7,18,20-21,23H,2,8-17,19H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyKFIPSXBQEMBCEC-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.69
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188773) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188773
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1
InChIInChI=1S/C26H38N6O/c1-2-27-24-18-25(29-20-28-24)32-16-10-21(11-17-32)8-9-26(33)30-23-12-14-31(15-13-23)19-22-6-4-3-5-7-22/h3-7,18,20-21,23H,2,8-17,19H2,1H3,(H,30,33)(H,27,28,29)
InChIKeyKFIPSXBQEMBCEC-UHFFFAOYSA-N
XLogP3.69
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102969
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188806
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188633
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-cyclohexylurea
CID 90545849
N-benzyl-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylpropanamide
CID 95103044
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103101
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
N-[(3,5-difluorophenyl)methyl]-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188745
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
N-(3-methylphenyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188724
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188773) is N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCNc1cc(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC2)ncn1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is KFIPSXBQEMBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-2-27-24-18-25(29-20-28-24)32-16-10-21(11-17-32)8-9-26(33)30-23-12-14-31(15-13-23)19-22-6-4-3-5-7-22/h3-7,18,20-21,23H,2,8-17,19H2,1H3,(H,30,33)(H,27,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 450.63 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).