N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide

C24H34N6O — CID 45177868

IUPACN,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C24H34N6O/c1-28(2)23(31)20-6-8-22(9-7-20)29-15-10-21(11-16-29)27-17-19-5-3-14-30(18-19)24-25-12-4-13-26-24/h4,6-9,12-13,19,21,27H,3,5,10-11,14-18H2,1-2H3
InChIKeySHUJNSPEYVPLQT-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.65
Rot. Bonds6

About N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide

N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide (PubChem CID 45177868) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
PubChem CID45177868
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1
InChIInChI=1S/C24H34N6O/c1-28(2)23(31)20-6-8-22(9-7-20)29-15-10-21(11-16-29)27-17-19-5-3-14-30(18-19)24-25-12-4-13-26-24/h4,6-9,12-13,19,21,27H,3,5,10-11,14-18H2,1-2H3
InChIKeySHUJNSPEYVPLQT-UHFFFAOYSA-N
XLogP2.65
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
N,N-dimethyl-4-[4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methylamino]piperidin-1-yl]benzamide
CID 42451656
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
CID 99853750
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide (CID 45177868) is N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide is CN(C)C(=O)c1ccc(N2CCC(NCC3CCCN(c4ncccn4)C3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide?
The InChIKey is SHUJNSPEYVPLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-28(2)23(31)20-6-8-22(9-7-20)29-15-10-21(11-16-29)27-17-19-5-3-14-30(18-19)24-25-12-4-13-26-24/h4,6-9,12-13,19,21,27H,3,5,10-11,14-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide?
N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide has a molecular weight of 422.58 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide is sourced from PubChem (CID 45177868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).