N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C18H27N5O — CID 53188633

IUPACN-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CC1
InChIInChI=1S/C18H27N5O/c24-18(22-15-4-5-15)6-1-13-7-9-23(10-8-13)17-11-16(19-12-20-17)21-14-2-3-14/h11-15H,1-10H2,(H,22,24)(H,19,20,21)
InChIKeyOYIORMRIHVPVGI-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.33
Rot. Bonds7

About N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188633) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188633
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CC1
InChIInChI=1S/C18H27N5O/c24-18(22-15-4-5-15)6-1-13-7-9-23(10-8-13)17-11-16(19-12-20-17)21-14-2-3-14/h11-15H,1-10H2,(H,22,24)(H,19,20,21)
InChIKeyOYIORMRIHVPVGI-UHFFFAOYSA-N
XLogP2.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188806
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53188636
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53188800
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propanamide
CID 53188796
ethyl 4-[3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanoylamino]piperidine-1-carboxylate
CID 95103267
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188773
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 53174502
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95103173

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188633) is N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is OYIORMRIHVPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c24-18(22-15-4-5-15)6-1-13-7-9-23(10-8-13)17-11-16(19-12-20-17)21-14-2-3-14/h11-15H,1-10H2,(H,22,24)(H,19,20,21).
What are the key properties of N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).