N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide

C17H26N4O — CID 169085664

IUPACN-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
SMILESCN1CCC(N2CCN(c3ccc(NC=O)cc3)CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-8-6-17(7-9-19)21-12-10-20(11-13-21)16-4-2-15(3-5-16)18-14-22/h2-5,14,17H,6-13H2,1H3,(H,18,22)
InChIKeyBRRAJWWFRMJWGI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.47
Rot. Bonds4

About N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide

N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide (PubChem CID 169085664) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
PubChem CID169085664
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
SMILESCN1CCC(N2CCN(c3ccc(NC=O)cc3)CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-8-6-17(7-9-19)21-12-10-20(11-13-21)16-4-2-15(3-5-16)18-14-22/h2-5,14,17H,6-13H2,1H3,(H,18,22)
InChIKeyBRRAJWWFRMJWGI-UHFFFAOYSA-N
XLogP1.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
N-[(Z)-(6-iodo-3H-isoquinolin-4-ylidene)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]aniline
CID 141177356
sodium (E)-2-cyano-2-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]ethenolate
CID 68702571
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
N-[4-(1-methylpiperidine-4-carbonyl)phenyl]formamide
CID 58761955
N-[6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazin-2-yl]formamide
CID 130211175
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
CID 141331547
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide (CID 169085664) is N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide is CN1CCC(N2CCN(c3ccc(NC=O)cc3)CC2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide?
The InChIKey is BRRAJWWFRMJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19-8-6-17(7-9-19)21-12-10-20(11-13-21)16-4-2-15(3-5-16)18-14-22/h2-5,14,17H,6-13H2,1H3,(H,18,22).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide?
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide has a molecular weight of 302.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide is sourced from PubChem (CID 169085664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).