N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide

C17H29N5O — CID 14622622

IUPACN,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
SMILESCC(C)C(=O)N(C)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H29N5O/c1-15(2)16(23)20(3)9-4-5-10-21-11-13-22(14-12-21)17-18-7-6-8-19-17/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyGDZWVHGALGVFQW-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.49
Rot. Bonds7

About N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide

N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide (PubChem CID 14622622) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
PubChem CID14622622
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
SMILESCC(C)C(=O)N(C)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H29N5O/c1-15(2)16(23)20(3)9-4-5-10-21-11-13-22(14-12-21)17-18-7-6-8-19-17/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyGDZWVHGALGVFQW-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide
CID 14622624
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
1-butyl-3-ethyl-1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111159043
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 146274345
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
N'-ethyl-N'-pyrimidin-2-yl-N-[12-(4-pyrimidin-2-ylpiperazin-1-yl)dodecyl]ethane-1,2-diamine
CID 176837206
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide (CID 14622622) is N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide is CC(C)C(=O)N(C)CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide?
The InChIKey is GDZWVHGALGVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-15(2)16(23)20(3)9-4-5-10-21-11-13-22(14-12-21)17-18-7-6-8-19-17/h6-8,15H,4-5,9-14H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide?
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide is sourced from PubChem (CID 14622622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).