N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide

C19H25N5O2 — CID 167857379

IUPACN-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)NC2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(18(25)23-15-6-8-17(26-2)9-7-15)22-16-5-3-12-24(13-16)19-20-10-4-11-21-19/h4,6-11,14,16,22H,3,5,12-13H2,1-2H3,(H,23,25)
InChIKeyZKDKANYERXVTTB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide

N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide (PubChem CID 167857379) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
PubChem CID167857379
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)NC2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(18(25)23-15-6-8-17(26-2)9-7-15)22-16-5-3-12-24(13-16)19-20-10-4-11-21-19/h4,6-11,14,16,22H,3,5,12-13H2,1-2H3,(H,23,25)
InChIKeyZKDKANYERXVTTB-UHFFFAOYSA-N
XLogP2.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
2-(4-methoxyphenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55873034
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide (CID 167857379) is N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide is COc1ccc(NC(=O)C(C)NC2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide?
The InChIKey is ZKDKANYERXVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(18(25)23-15-6-8-17(26-2)9-7-15)22-16-5-3-12-24(13-16)19-20-10-4-11-21-19/h4,6-11,14,16,22H,3,5,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide?
N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide is sourced from PubChem (CID 167857379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).