N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide

C17H24N4O — CID 163604267

IUPACN-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide
SMILESC=NC(=NCN(C)C(C)=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-14(22)20(3)13-19-17(18-2)21-11-9-16(10-12-21)15-7-5-4-6-8-15/h4-8,16H,2,9-13H2,1,3H3
InChIKeyHAKDYDGMHPISAN-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide

N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide (PubChem CID 163604267) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide
PubChem CID163604267
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide
SMILESC=NC(=NCN(C)C(C)=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-14(22)20(3)13-19-17(18-2)21-11-9-16(10-12-21)15-7-5-4-6-8-15/h4-8,16H,2,9-13H2,1,3H3
InChIKeyHAKDYDGMHPISAN-UHFFFAOYSA-N
XLogP2.36
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide with MolForge

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Related Compounds

N-methoxy-N-methyl-4-phenylpiperidine-1-carboxamide
CID 139678223
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
4-phenyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 66647364
2,2-dimethyl-1-(4-phenylpiperidin-1-yl)but-3-en-1-one
CID 139215922
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
CID 158544804
N',4-diphenylpiperidine-1-carboximidamide
CID 70452820
methyl-(4-phenylpiperidin-1-yl)sulfanylcarbamic acid
CID 88823916
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide?
The IUPAC name of N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide (CID 163604267) is N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide is C=NC(=NCN(C)C(C)=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide?
The InChIKey is HAKDYDGMHPISAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(22)20(3)13-19-17(18-2)21-11-9-16(10-12-21)15-7-5-4-6-8-15/h4-8,16H,2,9-13H2,1,3H3.
What are the key properties of N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide?
N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[[(methylideneamino)-(4-phenylpiperidin-1-yl)methylidene]amino]methyl]acetamide is sourced from PubChem (CID 163604267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).