N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

C18H29N5O — CID 171335629

IUPACN-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2nccc(N(C)C)n2)CC1)C(=O)C1CCC1
InChIInChI=1S/C18H29N5O/c1-21(2)16-7-10-19-18(20-16)23-11-8-14(9-12-23)13-22(3)17(24)15-5-4-6-15/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3
InChIKeySZERSRHXYMRKPE-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds5

About N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide

N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (PubChem CID 171335629) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
PubChem CID171335629
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2nccc(N(C)C)n2)CC1)C(=O)C1CCC1
InChIInChI=1S/C18H29N5O/c1-21(2)16-7-10-19-18(20-16)23-11-8-14(9-12-23)13-22(3)17(24)15-5-4-6-15/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3
InChIKeySZERSRHXYMRKPE-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
CID 171335899
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335548
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
(4,4-difluoropiperidin-1-yl)-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 163345847
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335674
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865301
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 171994717
N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72888584

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (CID 171335629) is N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is CN(CC1CCN(c2nccc(N(C)C)n2)CC1)C(=O)C1CCC1.
What is the InChIKey of N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is SZERSRHXYMRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21(2)16-7-10-19-18(20-16)23-11-8-14(9-12-23)13-22(3)17(24)15-5-4-6-15/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3.
What are the key properties of N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).